5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid

C10H7FN2O2S — CID 143733030

IUPAC5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1cc(-c2scnc2C(=O)O)ccc1F
InChIInChI=1S/C10H7FN2O2S/c11-6-2-1-5(3-7(6)12)9-8(10(14)15)13-4-16-9/h1-4H,12H2,(H,14,15)
InChIKeyUCWFXRCWGAJCFI-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.23
Rot. Bonds2

About 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid

5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 143733030) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID143733030
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1cc(-c2scnc2C(=O)O)ccc1F
InChIInChI=1S/C10H7FN2O2S/c11-6-2-1-5(3-7(6)12)9-8(10(14)15)13-4-16-9/h1-4H,12H2,(H,14,15)
InChIKeyUCWFXRCWGAJCFI-UHFFFAOYSA-N
XLogP2.23
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid (CID 143733030) is 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid is Nc1cc(-c2scnc2C(=O)O)ccc1F.
What is the InChIKey of 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is UCWFXRCWGAJCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-6-2-1-5(3-7(6)12)9-8(10(14)15)13-4-16-9/h1-4H,12H2,(H,14,15).
What are the key properties of 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 143733030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).